Molecule card · MolClass #38434
24823850
24823850: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24823850Mitochondrial Fusion · compound_name
- MolClass ID
- 38434
- InChIKey
- KRXQVDIWTAZLPC-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc4c(N)nc2c(C(=O)N=C1N2(C=CS1))c4(c3ccc(F)cc3)
- Standard InChI
- InChI=1S/C16H8FN5OS/c17-9-3-1-8(2-4-9)11-10(7-18)13(19)20-14-12(11)15(23)21-16-22(14)5-6-24-16/h1-6H,(H2,19,20)
- Stored Murcko scaffold
- n1ccc(-c2ccccc2)c3[CH]N=C4SC=CN4c13
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 24783111#27641
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 120.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.929
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24823850